manganese(2+);bis(1,10-phenanthroline);diperchlorate

C24H16Cl2MnN4O8 — CID 139120056

IUPACmanganese(2+);bis(1,10-phenanthroline);diperchlorate
SMILES[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2ClHO4.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h2*1-8H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyUEMDPYZTCMDFDR-UHFFFAOYSA-L
MW614.26 g/mol
LogP-3.95
Rot. Bonds

About manganese(2+);bis(1,10-phenanthroline);diperchlorate

manganese(2+);bis(1,10-phenanthroline);diperchlorate (PubChem CID 139120056) has the molecular formula C24H16Cl2MnN4O8 and a molecular weight of 614.26 g/mol. Its IUPAC name is manganese(2+);bis(1,10-phenanthroline);diperchlorate.

Molecular Properties

Compound Namemanganese(2+);bis(1,10-phenanthroline);diperchlorate
PubChem CID139120056
Molecular FormulaC24H16Cl2MnN4O8
Molecular Weight614.26 g/mol
Exact Mass612.97
IUPAC Namemanganese(2+);bis(1,10-phenanthroline);diperchlorate
SMILES[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2ClHO4.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h2*1-8H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyUEMDPYZTCMDFDR-UHFFFAOYSA-L
XLogP-3.95
TPSA236.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.26
LogP ≤ 5-3.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(1,10-phenanthroline);diperchlorate?
The IUPAC name of manganese(2+);bis(1,10-phenanthroline);diperchlorate (CID 139120056) is manganese(2+);bis(1,10-phenanthroline);diperchlorate.
What is the SMILES notation for manganese(2+);bis(1,10-phenanthroline);diperchlorate?
The canonical SMILES for manganese(2+);bis(1,10-phenanthroline);diperchlorate is [Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of manganese(2+);bis(1,10-phenanthroline);diperchlorate?
The InChIKey is UEMDPYZTCMDFDR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.2ClHO4.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h2*1-8H;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of manganese(2+);bis(1,10-phenanthroline);diperchlorate?
manganese(2+);bis(1,10-phenanthroline);diperchlorate has a molecular weight of 614.26 g/mol, XLogP of -3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(1,10-phenanthroline);diperchlorate is sourced from PubChem (CID 139120056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).